3-[(2-methylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-(o-tolylmethylsulfanyl)-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-methylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-methylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=CC=C2C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=CC=C2C

InChI

InChI=1S/C13H17N3OS/c1-3-8-16-12(17)14-15-13(16)18-9-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H,14,17)